2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide

C25H30FN5O4 — CID 29161158

About 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide

2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 29161158) has the molecular formula C25H30FN5O4 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 29161158
• Molecular Formula: C25H30FN5O4
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.23
• IUPAC Name: 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C25H30FN5O4/c1-35-21-8-4-19(5-9-21)28-23(32)16-22-25(34)27-10-11-31(22)24(33)17-29-12-14-30(15-13-29)20-6-2-18(26)3-7-20/h2-9,22H,10-17H2,1H3,(H,27,34)(H,28,32)/t22-/m1/s1
• InChIKey: GLYFJRGQFHFYNN-JOCHJYFZSA-N
• XLogP: 1.31
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide (CID 29161158) is 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.

What is the InChIKey of 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?

The InChIKey is GLYFJRGQFHFYNN-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30FN5O4/c1-35-21-8-4-19(5-9-21)28-23(32)16-22-25(34)27-10-11-31(22)24(33)17-29-12-14-30(15-13-29)20-6-2-18(26)3-7-20/h2-9,22H,10-17H2,1H3,(H,27,34)(H,28,32)/t22-/m1/s1.

What are the key properties of 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide?

2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 483.54 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 29161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).